Full-Potential Electronic Structure Method : Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory
This book covers the theory of electronic structure of materials, with special emphasis on the usage of linear muffin-tin orbitals. Methodological aspects are given in detail as are examples of the method when applied to various materials. Different exchange and correlation functionals are described...
محفوظ في:
| المؤلفون الرئيسيون: | , , , , , |
|---|---|
| التنسيق: | Livre numérique |
| اللغة: | Anglais |
| منشور في: |
Berlin, Heidelberg :
Springer Berlin Heidelberg : Springer e-books
[20..].
Cham : Springer Nature |
| سلاسل: | Springer Series in Solid-State Sciences
167 |
| الموضوعات: | |
| الوصول للمادة أونلاين: | Accès sur la plateforme de l'éditeur Accès sur la plateforme Istex Accès Université d'Orléans Accès INSA CVL |
| ملاحظة: |
Autres contributions : John Wills, Anna Delin, Oleksiy Grechnyev (co-auteur) Archives Springer e-books (Licence nationale) Archives Springer e-books (Licence nationale) |
| Autres localisations: | Voir dans le Sudoc |
| Edition sous un autre format: | • Full-Potential Electronic Structure Method, Texte imprimé, 9783642151439 |
| LEADER | 03430nam a22004097a 4500 | ||
|---|---|---|---|
| 001 | 967979 | ||
| 008 | 110208q2000 xx ||| |||| 00| 0 eng d | ||
| 009 | PPN149894147 | ||
| 020 | |a 9783642151446 | ||
| 041 | 0 | |a eng | |
| 082 | |a 530.41 | ||
| 100 | 1 | |a Wills, John M. | |
| 245 | 1 | 0 | |a Full-Potential Electronic Structure Method : |b Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory |c by John M. Wills,... Olle Eriksson,... Per Andersson,... [et al.]. |
| 260 | |a Berlin, Heidelberg : |b Springer Berlin Heidelberg : |b Springer e-books. | ||
| 260 | |a Cham : |b Springer Nature, |c [20..]. | ||
| 490 | 0 | |a Springer Series in Solid-State Sciences |v 167 |x 0171-1873 | |
| 500 | |a Autres contributions : John Wills, Anna Delin, Oleksiy Grechnyev (co-auteur) | ||
| 500 | |a Archives Springer e-books (Licence nationale) | ||
| 500 | |a Archives Springer e-books (Licence nationale) | ||
| 504 | |a Bibliogr. p. [186]-194. Index | ||
| 505 | 1 | |a Formalisms Introductory Information Density Functional Theory and the Kohn Sham Equation Consequences of Infinite Crystals and Symmetries to Electronic Structure Theory Linear Muffin-Tin Orbital Method in the Atomic Sphere Approximation The Full-Potential Electronic Structure Problem and RSPt Dynamical Mean Field Theory Implementation Obtaining RSPt from the Web Applications Total Energy and Forces: Some Numerical Examples Chemical Bonding of Solids Magnetism Excitated State Properties A Database of Electronic Structures Future Developments and Outlook | |
| 506 | |a Accès en ligne pour les établissements français bénéficiaires des licences nationales | ||
| 506 | |a Accès soumis à abonnement pour tout autre établissement | ||
| 506 | |a Conditions particulières de réutilisation pour les bénéficiaires des licences nationales. https://www.licencesnationales.fr/springer-nature-ebooks-contrat-licence-ln-2017 | ||
| 520 | |a This book covers the theory of electronic structure of materials, with special emphasis on the usage of linear muffin-tin orbitals. Methodological aspects are given in detail as are examples of the method when applied to various materials. Different exchange and correlation functionals are described and how they are implemented within the basis of linear muffin-tin orbitals. Functionals covered are the local spin density approximation, generalised gradient approximation, self-interaction correction and dynamical mean field theory | ||
| 650 | |a Structure électronique | ||
| 700 | 1 | |a Eriksson, Olle, |d 19..-...., |c physicien. |4 aut | |
| 700 | 1 | |a Andersson, Per. |4 aut | |
| 700 | 1 | |a Delin, Anna. |4 aut | |
| 700 | 1 | |a Grechnyev, Oleksiy. |4 aut | |
| 700 | 1 | |a Alouani, Mébarek. |4 aut | |
| 776 | 0 | |t Full-Potential Electronic Structure Method |b Texte imprimé |z 9783642151439 | |
| 856 | 4 | |q PDF |u https://doi.org/10.1007/978-3-642-15144-6 |z Accès sur la plateforme de l'éditeur | |
| 856 | 4 | |u https://revue-sommaire.istex.fr/ark:/67375/8Q1-5XQKTM2L-Q |z Accès sur la plateforme Istex | |
| 856 | 4 | |5 452349901:750601957 |u https://ezproxy.univ-orleans.fr/login?url=https://doi.org/10.1007/978-3-642-15144-6 |z Accès Université d'Orléans | |
| 856 | 4 | |5 180339901:753962365 |u https://ezproxy.insa-cvl.fr/login?qurl=https://doi.org/10.1007/978-3-642-15144-6 |z Accès INSA CVL | |
| 997 | |0 967979 |1 Livre numérique |a Ressource numérique |b INSA |b ENSA |c 0/Bibliothèque numérique/ |c 1/Bibliothèque numérique/Autre ressource numérique/ | ||